CID 325760

60532-37-8

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CN1C2CCC(C1=O)N3N2C(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C14H14N4O3/c1-15-11-8-7-10(12(15)19)17-13(20)16(14(21)18(11)17)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKey
RCQTYKCIVZQRKC-UHFFFAOYSA-N
Compound name
8-methyl-4-phenyl-2,4,6,8-tetrazatricyclo[5.2.2.02,6]undecane-3,5,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1066 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 162.1
[M+Na]+ 309.09582 171.7
[M-H]- 285.09932 160.9
[M+NH4]+ 304.14042 179.1
[M+K]+ 325.06976 167.1
[M+H-H2O]+ 269.10386 153.2
[M+HCOO]- 331.10480 172.5
[M+CH3COO]- 345.12045 172.1
[M+Na-2H]- 307.08127 168.9
[M]+ 286.10605 166.7
[M]- 286.10715 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.